| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C24H28FN3O5S/c1-32-23-22(20-15-18(25)7-8-21(20)27-23)24(29)33-16-17-9-12-28(13-10-17)14-11-26-34(30,31)19-5-3-2-4-6-19/h2-8,15,17,26-27H,9-14,16H2,1H3 |
| InChIKey | InChI | 1.03 | BQXJBDPZMXVCHA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1[nH]c2ccc(F)cc2c1C(=O)OCC3CCN(CCN[S](=O)(=O)c4ccccc4)CC3 |
| SMILES | CACTVS | 3.385 | COc1[nH]c2ccc(F)cc2c1C(=O)OCC3CCN(CCN[S](=O)(=O)c4ccccc4)CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1c(c2cc(ccc2[nH]1)F)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)c4ccccc4 |
